AI55319
710-11-2 | 2-Oxo-4-phenylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AI55319
ChemicalName
2-Oxo-4-phenylbutyric acid
CasNumber
710-11-2
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00969471
Smiles
O=C(C(=O)O)CCc1ccccc1
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AI55319
ChemicalName: 2-Oxo-4-phenylbutyric acid
CasNumber: 710-11-2
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00969471
Smiles: O=C(C(=O)O)CCc1ccccc1
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AI55319
ChemicalName:
2-Oxo-4-phenylbutyric acid
CasNumber:
710-11-2
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00969471
Smiles:
O=C(C(=O)O)CCc1ccccc1
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: AI55320
ChemicalName: 5-Bromo-3-methoxy-2-methylpyridin-4-ol
CasNumber: 71001-57-5
MolecularFormula: C7H8BrNO2
MolecularWeight: 218.0479
MdlNumber: MFCD28531444
Smiles: COc1c(C)[nH]cc(c1=O)Br
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AI55320
ChemicalName:
5-Bromo-3-methoxy-2-methylpyridin-4-ol
CasNumber:
71001-57-5
MolecularFormula:
C7H8BrNO2
MolecularWeight:
218.0479
MdlNumber:
MFCD28531444
Smiles:
COc1c(C)[nH]cc(c1=O)Br
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
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Smiles: CCOC(=O)C(C(C)C)[N+]#[C-]
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Smiles:
CCOC(=O)C(C(C)C)[N+]#[C-]
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Smiles: COc1cccc(c1)c1ccc(cc1)O
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Smiles:
COc1cccc(c1)c1ccc(cc1)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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